SCHEMBL5739747

SCHEMBL5739747

COC(=O)CCc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1ccsc1)NC(=O)c1cc2ccccc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.42
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
MCHR1 Q99705 1/20 0.38
RAB9A P51151 1/20 0.38
SIRT5 Q9NXA8 1/20 0.37
NAMPT P43490 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CTSK P43235 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5651559 0.94 PTGER4 (0.47) PTGER4TAS1R3TAS1R1MCHR1SIRT5
SCHEMBL5654934 0.94 PTGER4 (0.48) PTGER4TAS1R3TAS1R1SIRT5CA1
SCHEMBL5652300 0.90 PIN1 (0.42) PTGER4TAS1R3TAS1R1MCHR1RAB9A
SCHEMBL5653677 0.90 TAS1R3 (0.43) PTGER4TAS1R3TAS1R1MCHR1RAB9A
SCHEMBL5654371 0.89 TAS1R3 (0.42) PTGER4TAS1R3TAS1R1MCHR1RAB9A
SCHEMBL5654500 0.88 TAS1R3 (0.41) PTGER4TAS1R3TAS1R1MCHR1RAB9A
SCHEMBL5652220 0.85 PTGER4 (0.55) PTGER4TAS1R3TAS1R1SIRT5HDAC1
SCHEMBL5652835 0.84 PTGER4 (0.47) PTGER4TAS1R3TAS1R1SIRT5BCHE
SCHEMBL5652891 0.84 PTGER4 (0.48) PTGER4TAS1R3TAS1R1MCHR1SIRT5
SCHEMBL5654575 0.84 PTGER4 (0.48) PTGER4TAS1R3TAS1R1SIRT5HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697337-A2 ORNITHINE DERIVATIVES AS PROSTAGLANDIN-E2-AGONISTS OR ANTAGONISTS Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061475-A2 ORNITHINE DERIVATIVES AS PROSTAGLANDIN E2 AGONISTS OR ANTAGONISTS ASTELLAS PHARMA INC. (JP) 2005-07-07 WO disclosed